- InChI
- InChI=1S/C12H15F3O/c1-12(2,3)7-16-6-8-4-9(13)11(15)10(14)5-8/h4-5H,6-7H2,1-3H3
- InChI Key
- DHJUMSSLQITSLV-UHFFFAOYSA-N
- Formula
- C12H15F3O
- SMILES
- CC(C)(C)COCc1cc(F)c(F)c(F)c1
- Molecular Weight1
- 232.24
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -552.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.23 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.667 | Crippen Calculated Property | |
| McVol | 167.360 | ml/mol | McGowan Calculated Property |
| Pc | 2034.55 | kPa | Joback Calculated Property |
| Inp | 1235.00 | NIST | |
| Tboil | 532.58 | K | Joback Calculated Property |
| Tc | 716.97 | K | Joback Calculated Property |
| Tfus | 315.40 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.73; 476.43] | J/mol×K | [532.58; 716.97] | 
|
| Cp,gas | 400.73 | J/mol×K | 532.58 | Joback Calculated Property |
| Cp,gas | 415.04 | J/mol×K | 563.31 | Joback Calculated Property |
| Cp,gas | 428.64 | J/mol×K | 594.04 | Joback Calculated Property |
| Cp,gas | 441.56 | J/mol×K | 624.77 | Joback Calculated Property |
| Cp,gas | 453.82 | J/mol×K | 655.51 | Joback Calculated Property |
| Cp,gas | 465.44 | J/mol×K | 686.24 | Joback Calculated Property |
| Cp,gas | 476.43 | J/mol×K | 716.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5-Trifluorobenzyl alcohol, neopentyl ether.
Sources
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